2-[4-[(3,5-difluorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid

C17H16F2N2O4 — CID 14545076

IUPAC2-[4-[(3,5-difluorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(NC(=O)Nc2cc(F)cc(F)c2)cc1)C(=O)O
InChIInChI=1S/C17H16F2N2O4/c1-17(2,15(22)23)25-14-5-3-12(4-6-14)20-16(24)21-13-8-10(18)7-11(19)9-13/h3-9H,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyXMUWUUJCQZMPKV-UHFFFAOYSA-N
MW350.32 g/mol
LogP3.85
Rot. Bonds5

About 2-[4-[(3,5-difluorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid

2-[4-[(3,5-difluorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid (PubChem CID 14545076) has the molecular formula C17H16F2N2O4 and a molecular weight of 350.32 g/mol. Its IUPAC name is 2-[4-[(3,5-difluorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(3,5-difluorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid
PubChem CID14545076
Molecular FormulaC17H16F2N2O4
Molecular Weight350.32 g/mol
Exact Mass350.11
IUPAC Name2-[4-[(3,5-difluorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(NC(=O)Nc2cc(F)cc(F)c2)cc1)C(=O)O
InChIInChI=1S/C17H16F2N2O4/c1-17(2,15(22)23)25-14-5-3-12(4-6-14)20-16(24)21-13-8-10(18)7-11(19)9-13/h3-9H,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyXMUWUUJCQZMPKV-UHFFFAOYSA-N
XLogP3.85
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

GW-2331
CID 657048
2-(4-(3,5-Dichlorophenylureido)phenoxy)-2-methylpropionic acid
CID 195347
ethyl N-[(2,4-difluorophenyl)carbamoyl]-3,3,3-trifluoro-2-(4-fluorophenoxy)alaninate
CID 5238634
2-(4-{2-[3-(2,4-Difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-propionic acid
CID 9847836
Propanoic acid, 2-(4-(2-((((4-fluorophenyl)amino)carbonyl)heptylamino)ethyl)phenoxy)-2-methyl-
CID 11826628
2-[2-Fluoro-4-(2-phenoxypropanoylamino)phenoxy]acetic acid
CID 122189672
2-[2-Fluoro-4-[2-(2-fluorophenoxy)propanoylamino]phenoxy]acetic acid
CID 122189676
2-[3-(2,4-Difluoro-phenyl)-ureido]-3,3,3-trifluoro-2-phenoxy-propionic acid ethyl ester
CID 5136159
2-(4-{2-[1-Cycloheptyl-3-(2,4-difluoro-phenyl)-ureido]-ethyl}-phenoxy)-2-methyl-propionic acid
CID 10743135
2-(4-{2-[1-(5-Cyclohexyl-pentyl)-3-(4-fluoro-phenyl)-ureido]-ethyl}-phenoxy)-2-methyl-propionic acid
CID 44348875
1-(4-Ethoxyphenyl)-3-(3-fluorophenyl)urea
CID 310948
2-[4-[2-[(2,4-Difluoro-6-tritiophenyl)carbamoyl-heptylamino]ethyl]phenoxy]-2-methylbutanoic acid
CID 10624977

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-difluorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[(3,5-difluorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid (CID 14545076) is 2-[4-[(3,5-difluorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[(3,5-difluorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[(3,5-difluorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid is CC(C)(Oc1ccc(NC(=O)Nc2cc(F)cc(F)c2)cc1)C(=O)O.
What is the InChIKey of 2-[4-[(3,5-difluorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid?
The InChIKey is XMUWUUJCQZMPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O4/c1-17(2,15(22)23)25-14-5-3-12(4-6-14)20-16(24)21-13-8-10(18)7-11(19)9-13/h3-9H,1-2H3,(H,22,23)(H2,20,21,24).
What are the key properties of 2-[4-[(3,5-difluorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid?
2-[4-[(3,5-difluorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid has a molecular weight of 350.32 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-difluorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 14545076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).